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Structure

3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester

CAS
883738-27-0
Catalog Number
ACM883738270
Category
Other Products
Molecular Weight
316.2
Molecular Formula
C18H29BN2O2
MSDS COA Spec Sheet

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Specification

Synonyms
883738-27-0, 3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, SureCN722120, AMTB037, CTK8B3408, ANW-42477, AKOS016001010, AK-95230, B-5681, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester,, 1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
IUPAC Name
1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCN(CC3)C
InChI Key
PESZAXRJFGLGTR-UHFFFAOYSA-N
Exact Mass
316.23200
H-Bond Acceptor
4
H-Bond Donor
0

Upstream Synthesis Route 1

  • 109-01-3
  • 443776-76-9
  • 883738-27-0

Reference: [1] Organic Letters, 2013, vol. 15, # 18, p. 4850 - 4853

Upstream Synthesis Route 2

  • 109-01-3
  • 214360-74-4
  • 883738-27-0

Reference: [1] Patent: US2006/84650, 2006, A1, . Location in patent: Page/Page column 108-109

Upstream Synthesis Route 3

  • 331977-03-8
  • 73183-34-3
  • 883738-27-0

Reference: [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 2, p. 196 - 218

Upstream Synthesis Route 4

  • 109-01-3
  • 214360-74-4
  • 883738-27-0

Reference: [1]Patent: US2006/84650,2006,A1 .Location in patent: Page/Page column 108-109

Upstream Synthesis Route 5

  • 331977-03-8
  • 73183-34-3
  • 883738-27-0

Reference: [1]European Journal of Medicinal Chemistry,2019,vol. 179,p. 449 - 469
[2]Journal of Medicinal Chemistry,2008,vol. 51,p. 196 - 218

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